CID 71464351

3-bromo-6-chloro-2,4-dimethylpyridine

Structural Information

Molecular Formula
C7H7BrClN
SMILES
CC1=CC(=NC(=C1Br)C)Cl
InChI
InChI=1S/C7H7BrClN/c1-4-3-6(9)10-5(2)7(4)8/h3H,1-2H3
InChIKey
POWYUKKERVLNDN-UHFFFAOYSA-N
Compound name
3-bromo-6-chloro-2,4-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

218.94504 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.952316 131.8
[M+Na]+ 241.934258 146.9
[M-H]- 217.937764 137.6
[M+NH4]+ 236.978863 154.4
[M+K]+ 257.908198 134.4
[M+H-H2O]+ 201.942300 133.0
[M+HCOO]- 263.943241 148.9
[M+CH3COO]- 277.958891 185.6
[M+Na-2H]- 239.919706 140.0
[M]+ 218.94449142 152.9
[M]- 218.94558858 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe